#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kl2 s GLU 37 N 0.00 1.16 -0.06 1.96 2.02 -1.26 -4.83 118.70 117.68 3kl2 s GLU 37 Ca 0.00 -1.20 0.05 0.00 0.02 0.00 0.00 54.97 53.84 3kl2 s GLU 37 Cb 0.00 -1.42 -0.00 0.00 0.10 0.00 0.00 34.13 32.81 3kl2 s GLU 37 CO 0.00 0.33 -0.22 -0.51 0.02 0.00 0.00 175.26 174.88 3kl2 s LEU 38 N -1.99 2.00 -0.30 1.80 1.43 -1.26 -5.12 118.68 115.25 3kl2 s LEU 38 Ca 0.08 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.61 3kl2 s LEU 38 Cb -0.10 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.86 3kl2 s LEU 38 CO 0.05 0.19 0.19 -0.62 0.23 0.00 0.00 176.35 176.38 3kl2 s ASP 39 N 0.05 5.91 0.20 2.29 3.68 -1.26 -4.97 116.67 122.57 3kl2 s ASP 39 Ca -0.07 -0.19 -0.10 0.00 2.13 0.00 0.00 52.55 54.32 3kl2 s ASP 39 Cb -0.14 -2.10 0.27 0.00 -1.45 0.00 0.00 42.92 39.50 3kl2 s ASP 39 CO 0.04 -0.11 1.72 -0.65 0.13 0.00 0.00 175.17 176.30 3kl2 h PRO 40 N 8.39 0.31 0.00 4.34 0.11 -1.92 -1.13 132.00 142.11 3kl2 h PRO 40 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3kl2 h PRO 40 Cb 1.18 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kl2 h PRO 40 CO 0.58 0.21 0.00 0.00 -0.21 0.00 0.00 178.00 178.58 3kl2 n ALA 41 N -2.52 1.26 -1.07 -0.75 0.00 -1.26 -2.78 120.51 113.39 3kl2 n ALA 41 Ca 0.08 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.64 3kl2 n ALA 41 Cb 0.29 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 18.61 3kl2 n ALA 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kl2 n ARG 42 N -1.84 1.25 -4.25 0.00 1.74 -0.47 -4.67 116.66 108.42 3kl2 n ARG 42 Ca 0.01 -1.97 -0.18 0.00 -0.77 0.00 0.00 57.85 54.94 3kl2 n ARG 42 Cb 0.08 -1.16 -0.11 0.00 -1.02 0.00 0.00 32.46 30.25 3kl2 n ARG 42 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3kl2 s THR 43 N -1.83 1.36 -0.13 0.55 2.01 -0.95 -1.51 115.64 115.14 3kl2 s THR 43 Ca 0.19 -1.73 -0.14 0.00 0.31 0.00 0.00 61.69 60.31 3kl2 s THR 43 Cb 0.16 -1.55 0.04 0.00 0.01 0.00 0.00 72.50 71.16 3kl2 s THR 43 CO 0.02 -0.41 0.40 0.00 -0.69 0.00 0.00 174.62 173.93 3kl2 s ALA 44 N -2.13 -0.98 -0.24 7.40 0.00 -0.82 -4.13 121.76 120.85 3kl2 s ALA 44 Ca 0.09 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.86 3kl2 s ALA 44 Cb -0.05 -0.56 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 3kl2 s ALA 44 CO 0.03 -0.20 0.76 0.42 0.00 0.00 0.00 175.76 176.77 3kl2 s ILE 45 N -0.00 4.89 -0.26 0.00 -1.09 -0.53 -0.52 121.20 123.68 3kl2 s ILE 45 Ca -0.02 1.43 -0.05 0.00 -2.23 0.00 0.00 60.65 59.78 3kl2 s ILE 45 Cb -0.03 -4.06 0.00 0.00 -1.58 0.00 0.00 42.46 36.79 3kl2 s ILE 45 CO 0.01 -0.02 0.03 -0.69 -1.23 0.00 0.00 174.94 173.04 3kl2 s VAL 46 N 2.62 3.73 -0.28 2.92 1.01 0.07 -0.21 120.40 130.26 3kl2 s VAL 46 Ca 0.32 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 3kl2 s VAL 46 Cb -0.15 -2.84 0.01 0.00 0.00 0.00 0.00 36.38 33.39 3kl2 s VAL 46 CO 0.08 0.22 0.05 -0.76 0.00 0.00 0.00 175.10 174.68 3kl2 s LEU 47 N 1.49 3.63 -0.32 3.92 1.43 -0.16 -2.43 118.68 126.24 3kl2 s LEU 47 Ca 0.04 -0.67 -0.11 0.00 -1.03 0.00 0.00 54.13 52.36 3kl2 s LEU 47 Cb -0.16 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.22 3kl2 s LEU 47 CO 0.00 -0.15 0.18 -0.63 0.23 0.00 0.00 176.35 175.98 3kl2 s ILE 48 N 1.48 4.82 -1.18 -0.59 1.01 -0.24 -0.75 121.20 125.74 3kl2 s ILE 48 Ca 0.03 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 3kl2 s ILE 48 Cb -0.17 -3.48 0.01 0.00 0.01 0.00 0.00 42.46 38.83 3kl2 s ILE 48 CO 0.01 0.02 0.66 -0.62 0.00 0.00 0.00 174.94 175.01 3kl2 n GLU 49 N 5.02 -4.84 -1.14 2.79 1.02 -0.57 -0.53 120.64 122.40 3kl2 n GLU 49 Ca -0.13 0.70 -0.34 0.00 -0.02 0.00 0.00 57.16 57.37 3kl2 n GLU 49 Cb 0.49 -5.20 -0.03 0.00 -0.02 0.00 0.00 31.44 26.68 3kl2 n GLU 49 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3kl2 n TYR 50 N -4.35 2.11 -4.26 -0.32 4.01 -1.26 -4.64 117.16 108.45 3kl2 n TYR 50 Ca -0.05 -2.39 -0.31 0.00 -0.16 0.00 0.00 57.90 54.99 3kl2 n TYR 50 Cb 0.58 -2.04 -0.09 0.00 -0.31 0.00 0.00 39.34 37.48 3kl2 n TYR 50 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3kl2 s GLN 51 N 3.39 2.42 0.40 -0.72 -0.21 -1.26 -1.40 119.66 122.27 3kl2 s GLN 51 Ca 0.52 -0.86 0.18 0.00 0.02 0.00 0.00 55.36 55.23 3kl2 s GLN 51 Cb 0.14 -2.45 1.11 0.00 1.00 0.00 0.00 33.01 32.80 3kl2 s GLN 51 CO -0.02 0.55 1.76 -0.91 -2.12 0.00 0.00 175.29 174.56 3kl2 h ASN 52 N 3.83 0.45 -1.03 5.90 2.35 -1.03 0.18 115.58 126.22 3kl2 h ASN 52 Ca -0.48 0.09 0.29 0.00 -0.55 0.00 0.00 56.30 55.64 3kl2 h ASN 52 Cb 1.17 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.50 3kl2 h ASN 52 CO 0.55 0.08 0.72 -0.08 -1.65 0.00 0.00 177.43 177.05 3kl2 h GLU 53 N 0.39 0.11 0.00 0.81 4.57 -1.39 -1.71 114.58 117.35 3kl2 h GLU 53 Ca 0.60 -0.01 -0.40 0.00 -1.18 0.00 0.00 59.36 58.37 3kl2 h GLU 53 Cb 1.53 -0.02 -0.06 0.00 -0.16 0.00 0.00 28.75 30.04 3kl2 h GLU 53 CO -0.31 0.07 -2.29 1.19 -1.18 0.00 0.00 179.01 176.50 3kl2 n PHE 54 N -4.33 0.10 0.09 0.92 3.72 0.47 -1.78 117.46 116.65 3kl2 n PHE 54 Ca 0.23 0.04 -0.06 0.00 -0.05 0.00 0.00 57.45 57.60 3kl2 n PHE 54 Cb 1.03 -0.96 0.05 0.00 -0.94 0.00 0.00 39.48 38.65 3kl2 n PHE 54 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3kl2 h THR 55 N -1.00 1.47 -3.83 4.37 1.35 -0.85 -3.36 112.91 111.06 3kl2 h THR 55 Ca -0.61 -2.42 -0.68 0.00 -0.55 0.00 0.00 66.41 62.16 3kl2 h THR 55 Cb 1.53 2.31 -0.20 0.00 -1.73 0.00 0.00 68.15 70.06 3kl2 h THR 55 CO -0.37 0.70 -0.80 -0.44 -0.25 0.00 0.00 175.52 174.37 3kl2 s SER 56 N -6.89 3.88 0.13 5.36 0.01 -0.67 -5.03 113.70 110.49 3kl2 s SER 56 Ca -0.03 -0.49 -0.31 0.00 1.31 0.00 0.00 55.95 56.44 3kl2 s SER 56 Cb 0.11 -0.59 -0.10 0.00 0.21 0.00 0.00 66.02 65.64 3kl2 s SER 56 CO 0.81 0.21 1.80 1.51 0.41 0.00 0.00 173.24 177.99 3kl2 s ASP 57 N -1.82 6.44 0.00 2.44 1.47 -1.26 -0.94 116.67 123.00 3kl2 s ASP 57 Ca 0.17 2.74 0.00 0.00 1.18 0.00 0.00 52.55 56.64 3kl2 s ASP 57 Cb -0.11 -2.57 0.00 0.00 -0.34 0.00 0.00 42.92 39.91 3kl2 s ASP 57 CO 0.08 -0.99 0.00 0.61 0.68 0.00 0.00 175.17 175.55 3kl2 n GLY 58 N 4.19 1.75 3.74 2.12 0.00 -1.26 -5.10 105.19 110.62 3kl2 n GLY 58 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3kl2 n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kl2 s GLY 59 N -1.96 2.07 0.52 -0.02 0.00 -0.12 -4.89 107.32 102.93 3kl2 s GLY 59 Ca 0.00 1.35 0.30 0.00 0.00 0.00 0.00 44.72 46.37 3kl2 s GLY 59 CO 0.00 2.40 1.88 -2.08 0.00 0.00 0.00 173.10 175.30 3kl2 h VAL 60 N 3.69 0.55 -0.30 1.40 2.07 -1.87 -0.18 116.25 121.62 3kl2 h VAL 60 Ca -0.45 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.05 3kl2 h VAL 60 Cb 1.21 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 3kl2 h VAL 60 CO 0.82 0.01 0.00 0.18 0.02 0.00 0.00 177.57 178.60 3kl2 n LEU 61 N -4.29 3.08 -0.06 2.57 4.77 -0.73 -4.64 117.00 117.69 3kl2 n LEU 61 Ca 0.19 -2.25 -0.12 0.00 -0.03 0.00 0.00 56.01 53.80 3kl2 n LEU 61 Cb 0.96 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3kl2 n LEU 61 CO 0.38 0.70 0.49 -0.74 -1.33 0.00 0.00 177.39 176.89 3kl2 h HIS 62 N 1.82 0.98 -0.10 -1.77 2.76 -0.64 -3.04 115.15 115.16 3kl2 h HIS 62 Ca 0.00 -0.33 -0.01 0.00 -2.20 0.00 0.00 60.37 57.83 3kl2 h HIS 62 Cb 0.88 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.65 3kl2 h HIS 62 CO 0.27 1.12 0.03 0.78 -1.30 0.00 0.00 177.93 178.84 3kl2 h GLY 63 N 0.83 0.15 2.00 5.26 0.00 -1.82 0.15 103.07 109.64 3kl2 h GLY 63 Ca 0.03 -0.06 -0.12 0.00 0.00 0.00 0.00 47.33 47.17 3kl2 h GLY 63 CO 0.11 0.06 -0.59 0.00 0.00 0.00 0.00 176.54 176.11 3kl2 h ALA 64 N 1.89 0.99 -0.01 3.60 0.00 -1.85 -3.35 119.26 120.53 3kl2 h ALA 64 Ca 0.04 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3kl2 h ALA 64 Cb 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kl2 h ALA 64 CO -0.00 0.74 -0.12 1.33 0.00 0.00 0.00 179.25 181.20 3kl2 n VAL 65 N -3.79 0.00 -0.25 0.00 0.24 -0.76 -4.16 118.33 109.62 3kl2 n VAL 65 Ca -0.01 -0.44 -0.06 0.00 -2.04 0.00 0.00 64.34 61.79 3kl2 n VAL 65 Cb 0.60 1.09 0.08 0.00 -1.47 0.00 0.00 33.84 34.15 3kl2 n VAL 65 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kl2 h ALA 66 N 1.25 1.03 0.13 2.33 0.00 -0.87 -1.22 119.26 121.91 3kl2 h ALA 66 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.70 3kl2 h ALA 66 Cb 0.25 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3kl2 h ALA 66 CO 0.00 0.65 -0.30 -0.44 0.00 0.00 0.00 179.25 179.16 3kl2 h ASP 67 N 1.06 -0.86 -0.06 0.00 3.32 -1.83 0.85 116.42 118.90 3kl2 h ASP 67 Ca 0.23 0.10 -0.14 0.00 0.02 0.00 0.00 57.03 57.24 3kl2 h ASP 67 Cb 0.31 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.17 3kl2 h ASP 67 CO -0.01 -0.39 -0.44 0.58 -1.72 0.00 0.00 179.24 177.26 3kl2 h VAL 68 N -0.52 1.30 -0.70 -1.35 2.07 -1.74 -1.93 116.25 113.38 3kl2 h VAL 68 Ca 0.03 -1.63 0.09 0.00 0.82 0.00 0.00 66.70 66.00 3kl2 h VAL 68 Cb 0.55 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.84 3kl2 h VAL 68 CO -0.17 0.52 0.36 0.24 0.02 0.00 0.00 177.57 178.53 3kl2 h MET 69 N 0.49 0.60 0.30 1.57 2.86 -0.93 0.06 114.93 119.88 3kl2 h MET 69 Ca 0.03 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3kl2 h MET 69 Cb 0.97 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.49 3kl2 h MET 69 CO 0.09 0.40 -0.14 0.37 1.06 0.00 0.00 176.91 178.68 3kl2 h GLN 70 N 0.62 -0.38 -0.52 1.72 -0.00 -0.60 -0.70 115.11 115.25 3kl2 h GLN 70 Ca 0.34 0.03 0.10 0.00 -0.00 0.00 0.00 58.65 59.11 3kl2 h GLN 70 Cb 0.33 0.09 -0.08 0.00 0.00 0.00 0.00 27.48 27.82 3kl2 h GLN 70 CO -0.25 -0.05 0.04 0.45 0.00 0.00 0.00 178.83 179.02 3kl2 h HIS 71 N -0.80 0.05 -0.00 3.99 3.86 -1.17 -2.65 115.15 118.43 3kl2 h HIS 71 Ca -0.04 0.04 -0.15 0.00 -1.16 0.00 0.00 60.37 59.06 3kl2 h HIS 71 Cb 0.51 0.06 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 3kl2 h HIS 71 CO 0.03 -0.08 -0.68 1.79 0.86 0.00 0.00 177.93 179.85 3kl2 h THR 72 N 0.16 1.48 -1.90 2.45 1.35 -0.98 -3.48 112.91 111.99 3kl2 h THR 72 Ca 0.26 -2.32 -0.24 0.00 -0.55 0.00 0.00 66.41 63.56 3kl2 h THR 72 Cb 0.39 2.25 -0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3kl2 h THR 72 CO -0.40 0.67 -0.32 0.61 -0.25 0.00 0.00 175.52 175.83 3kl2 n GLY 73 N 0.44 -0.12 0.29 5.82 0.00 -0.27 -4.93 105.19 106.41 3kl2 n GLY 73 Ca -0.01 -0.36 -0.11 0.00 0.00 0.00 0.00 46.02 45.54 3kl2 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kl2 h MET 74 N -0.12 1.01 0.27 1.61 -0.00 -1.69 -2.21 114.93 113.79 3kl2 h MET 74 Ca -0.29 -0.42 0.01 0.00 -0.00 0.00 0.00 59.70 58.99 3kl2 h MET 74 Cb 1.21 -0.04 -0.03 0.00 -0.00 0.00 0.00 31.60 32.74 3kl2 h MET 74 CO 0.34 1.10 -0.42 1.25 -0.00 0.00 0.00 176.91 179.19 3kl2 h LEU 75 N 0.87 -1.18 -0.81 -0.10 5.85 -1.87 0.43 115.31 118.50 3kl2 h LEU 75 Ca 0.12 0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.97 3kl2 h LEU 75 Cb 0.77 0.42 -0.04 0.00 0.37 0.00 0.00 40.66 42.18 3kl2 h LEU 75 CO 0.06 -0.53 0.53 0.00 -0.34 0.00 0.00 178.44 178.17 3kl2 h ALA 76 N -0.34 1.04 -0.28 1.25 0.00 -1.94 -0.22 119.26 118.77 3kl2 h ALA 76 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3kl2 h ALA 76 Cb 0.71 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3kl2 h ALA 76 CO -0.15 0.40 0.08 -0.91 0.00 0.00 0.00 179.25 178.67 3kl2 h ASN 77 N 1.06 0.41 0.01 0.00 2.35 -1.21 -1.26 115.58 116.95 3kl2 h ASN 77 Ca 0.31 -0.21 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3kl2 h ASN 77 Cb -0.07 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3kl2 h ASN 77 CO -0.08 0.52 -0.12 0.74 -1.65 0.00 0.00 177.43 176.83 3kl2 h THR 78 N 0.29 0.71 -0.72 2.81 2.02 -0.56 0.70 112.91 118.16 3kl2 h THR 78 Ca 0.09 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.41 3kl2 h THR 78 Cb 0.25 0.71 -0.14 0.00 -1.74 0.00 0.00 68.15 67.23 3kl2 h THR 78 CO -0.00 0.00 -0.19 0.58 0.37 0.00 0.00 175.52 176.28 3kl2 h VAL 79 N -0.21 0.27 -0.66 3.16 2.07 -0.92 0.07 116.25 120.04 3kl2 h VAL 79 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 3kl2 h VAL 79 Cb 0.25 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 30.26 3kl2 h VAL 79 CO -0.11 0.00 0.42 0.00 0.02 0.00 0.00 177.57 177.90 3kl2 h ALA 80 N 1.70 0.83 -0.16 1.67 0.00 -0.20 -1.89 119.26 121.21 3kl2 h ALA 80 Ca 0.34 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3kl2 h ALA 80 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3kl2 h ALA 80 CO -0.75 0.28 0.07 0.28 0.00 0.00 0.00 179.25 179.14 3kl2 h VAL 81 N 0.89 1.13 -0.72 0.00 2.07 0.11 -2.44 116.25 117.30 3kl2 h VAL 81 Ca 0.24 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3kl2 h VAL 81 Cb -0.08 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3kl2 h VAL 81 CO -0.05 0.13 0.43 0.58 0.02 0.00 0.00 177.57 178.68 3kl2 h VAL 82 N 0.12 1.21 -0.17 2.57 2.07 -0.81 0.89 116.25 122.12 3kl2 h VAL 82 Ca 0.05 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.08 3kl2 h VAL 82 Cb 0.13 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3kl2 h VAL 82 CO -0.01 0.21 -0.09 0.44 0.02 0.00 0.00 177.57 178.15 3kl2 h ASP 83 N 0.98 0.25 -0.09 0.57 3.32 -1.28 0.26 116.42 120.43 3kl2 h ASP 83 Ca 0.26 -0.04 -0.21 0.00 0.02 0.00 0.00 57.03 57.06 3kl2 h ASP 83 Cb -0.03 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.46 3kl2 h ASP 83 CO -0.05 0.37 -0.72 0.00 -1.72 0.00 0.00 179.24 177.13 3kl2 h ALA 84 N 1.66 0.41 -0.18 3.45 0.00 -0.82 -2.96 119.26 120.82 3kl2 h ALA 84 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3kl2 h ALA 84 Cb 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3kl2 h ALA 84 CO 0.02 0.70 0.12 0.00 0.00 0.00 0.00 179.25 180.08 3kl2 h ALA 85 N 0.67 0.23 -0.52 0.00 0.00 0.13 -1.70 119.26 118.08 3kl2 h ALA 85 Ca -0.03 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.96 3kl2 h ALA 85 Cb 1.33 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 3kl2 h ALA 85 CO 0.14 -0.29 0.07 0.00 0.00 0.00 0.00 179.25 179.17 3kl2 h ARG 86 N 0.24 0.19 -1.00 0.00 2.47 -1.03 0.93 114.38 116.18 3kl2 h ARG 86 Ca 0.07 -0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.80 3kl2 h ARG 86 Cb -0.02 -0.04 -0.05 0.00 -1.65 0.00 0.00 29.97 28.20 3kl2 h ARG 86 CO -0.02 0.12 0.66 1.96 0.56 0.00 0.00 179.97 183.25 3kl2 h GLN 87 N 0.19 1.28 0.00 0.04 4.20 -1.28 -1.76 115.11 117.78 3kl2 h GLN 87 Ca 0.26 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.90 3kl2 h GLN 87 Cb 0.38 -0.29 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3kl2 h GLN 87 CO -0.38 0.85 0.00 0.00 -0.67 0.00 0.00 178.83 178.63 3kl2 n ALA 88 N -2.38 2.12 -2.49 3.87 0.00 -0.60 -4.90 120.51 116.13 3kl2 n ALA 88 Ca 0.12 -0.03 -0.06 0.00 0.00 0.00 0.00 53.44 53.47 3kl2 n ALA 88 Cb 0.04 -1.43 0.01 0.00 0.00 0.00 0.00 19.45 18.08 3kl2 n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kl2 n GLY 89 N 1.00 0.35 3.69 0.00 0.00 -0.15 -4.84 105.19 105.24 3kl2 n GLY 89 Ca 0.05 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 3kl2 n GLY 89 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl2 s VAL 90 N -2.72 5.19 0.25 1.61 1.01 0.14 -4.76 120.40 121.12 3kl2 s VAL 90 Ca 0.09 0.80 -0.30 0.00 0.00 0.00 0.00 61.98 62.57 3kl2 s VAL 90 Cb -0.04 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 3kl2 s VAL 90 CO 0.11 0.27 1.45 -2.84 0.00 0.00 0.00 175.10 174.09 3kl2 s PRO 91 N 1.10 4.26 -0.27 2.72 0.01 -1.26 -4.22 135.00 137.34 3kl2 s PRO 91 Ca 0.22 2.32 -0.14 0.00 0.01 0.00 0.00 61.00 63.41 3kl2 s PRO 91 Cb -0.15 -3.11 -0.04 0.00 0.01 0.00 0.00 34.50 31.22 3kl2 s PRO 91 CO 0.08 -0.44 0.31 0.42 0.01 0.00 0.00 177.00 177.39 3kl2 s ILE 92 N 0.02 5.22 -0.29 2.83 -1.09 -1.26 -1.46 121.20 125.17 3kl2 s ILE 92 Ca 0.60 0.43 -0.07 0.00 -2.23 0.00 0.00 60.65 59.38 3kl2 s ILE 92 Cb -0.42 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 3kl2 s ILE 92 CO 0.43 0.19 0.08 -0.04 -1.23 0.00 0.00 174.94 174.38 3kl2 s MET 93 N 1.93 3.19 0.03 2.79 -1.94 0.70 -1.75 119.30 124.25 3kl2 s MET 93 Ca 0.12 -0.79 -0.21 0.00 -1.71 0.00 0.00 55.69 53.11 3kl2 s MET 93 Cb -0.16 -3.36 -0.06 0.00 2.01 0.00 0.00 34.83 33.26 3kl2 s MET 93 CO 0.10 -0.40 0.61 -1.01 -0.01 0.00 0.00 175.02 174.31 3kl2 s HIS 94 N 1.52 3.73 -0.58 -0.03 3.76 -0.18 -0.99 115.29 122.52 3kl2 s HIS 94 Ca 0.03 1.26 0.04 0.00 -0.15 0.00 0.00 55.06 56.24 3kl2 s HIS 94 Cb -0.17 -2.60 0.15 0.00 1.11 0.00 0.00 32.58 31.08 3kl2 s HIS 94 CO 0.03 0.42 0.38 0.00 -0.85 0.00 0.00 174.74 174.71 3kl2 s ALA 95 N -0.46 3.11 0.46 -1.40 0.00 0.07 0.26 121.76 123.80 3kl2 s ALA 95 Ca 0.31 -3.33 -0.16 0.00 0.00 0.00 0.00 51.96 48.78 3kl2 s ALA 95 Cb -0.19 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.80 3kl2 s ALA 95 CO 0.18 -2.06 0.91 -1.25 0.00 0.00 0.00 175.76 173.55 3kl2 s PRO 96 N -0.70 3.98 -0.12 0.00 0.04 -1.26 -1.51 135.00 135.43 3kl2 s PRO 96 Ca 0.23 0.87 -0.01 0.00 0.04 0.00 0.00 61.00 62.13 3kl2 s PRO 96 Cb -0.11 -2.22 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 3kl2 s PRO 96 CO -0.11 -0.13 -0.07 -1.50 0.04 0.00 0.00 177.00 175.23 3kl2 s ILE 97 N -2.42 3.60 0.07 0.56 2.07 -1.26 -4.38 121.20 119.43 3kl2 s ILE 97 Ca 0.58 -0.48 -0.05 0.00 -1.41 0.00 0.00 60.65 59.29 3kl2 s ILE 97 Cb -0.10 -2.52 -0.02 0.00 0.13 0.00 0.00 42.46 39.95 3kl2 s ILE 97 CO 0.26 0.54 0.07 0.42 -1.91 0.00 0.00 174.94 174.32 3kl2 s THR 98 N -0.08 0.18 -0.03 4.00 -4.23 -1.22 -4.80 115.64 109.45 3kl2 s THR 98 Ca 0.00 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 59.00 3kl2 s THR 98 Cb -0.13 -1.40 0.02 0.00 1.34 0.00 0.00 72.50 72.32 3kl2 s THR 98 CO 0.03 -0.83 0.08 -0.36 -0.54 0.00 0.00 174.62 173.00 3kl2 s PHE 99 N -3.82 -0.08 0.26 3.99 0.08 -0.56 -4.71 117.98 113.15 3kl2 s PHE 99 Ca 0.05 0.23 -0.31 0.00 0.12 0.00 0.00 56.93 57.03 3kl2 s PHE 99 Cb 0.06 -0.03 -0.13 0.00 -0.57 0.00 0.00 43.02 42.36 3kl2 s PHE 99 CO -0.10 -0.07 1.43 0.00 -0.10 0.00 0.00 175.22 176.38 3kl2 n ALA 100 N 3.38 1.43 -1.60 5.36 0.00 -1.26 0.28 120.51 128.10 3kl2 n ALA 100 Ca -0.17 0.40 -0.44 0.00 0.00 0.00 0.00 53.44 53.23 3kl2 n ALA 100 Cb 0.57 -2.31 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 3kl2 n ALA 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3kl2 n GLU 101 N 1.85 1.44 0.00 0.00 0.00 -1.26 -1.65 120.64 121.01 3kl2 n GLU 101 Ca 0.10 0.51 0.00 0.00 0.00 0.00 0.00 57.16 57.77 3kl2 n GLU 101 Cb 0.33 -1.93 0.00 0.00 0.00 0.00 0.00 31.44 29.84 3kl2 n GLU 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3kl2 n GLY 102 N 1.16 1.52 2.41 8.31 0.00 -1.26 -4.44 105.19 112.89 3kl2 n GLY 102 Ca 0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.93 3kl2 n GLY 102 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kl2 n TYR 103 N -2.00 -1.05 0.44 1.61 4.01 -0.66 -4.86 117.16 114.65 3kl2 n TYR 103 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.82 3kl2 n TYR 103 Cb 0.00 -3.50 0.36 0.00 -0.31 0.00 0.00 39.34 35.89 3kl2 n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kl2 n GLY 104 N -0.88 -1.07 0.03 2.72 0.00 -1.26 -1.54 105.19 103.18 3kl2 n GLY 104 Ca -0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.93 3kl2 n GLY 104 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kl2 n GLU 105 N -1.76 0.05 -4.42 1.61 1.02 -1.26 -4.87 120.64 111.01 3kl2 n GLU 105 Ca 0.03 0.15 -0.27 0.00 -0.02 0.00 0.00 57.16 57.06 3kl2 n GLU 105 Cb 0.18 -1.57 -0.09 0.00 -0.02 0.00 0.00 31.44 29.93 3kl2 n GLU 105 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3kl2 s LEU 106 N -3.33 2.97 0.61 -4.62 1.43 -0.59 -5.12 118.68 110.04 3kl2 s LEU 106 Ca 0.10 -1.24 -0.18 0.00 -1.03 0.00 0.00 54.13 51.78 3kl2 s LEU 106 Cb 0.14 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 45.19 3kl2 s LEU 106 CO 0.43 -0.48 1.03 1.07 0.23 0.00 0.00 176.35 178.63 3kl2 n THR 107 N -1.07 3.97 -0.00 5.49 5.66 -1.26 -4.93 114.28 122.13 3kl2 n THR 107 Ca -0.03 -0.50 0.01 0.00 -3.05 0.00 0.00 64.05 60.48 3kl2 n THR 107 Cb 0.66 -1.21 0.33 0.00 -1.55 0.00 0.00 70.33 68.56 3kl2 n THR 107 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 3kl2 h ARG 108 N 0.48 0.53 -2.20 1.09 3.08 -1.97 -3.33 114.38 112.06 3kl2 h ARG 108 Ca -0.49 -0.09 -0.59 0.00 0.07 0.00 0.00 59.98 58.88 3kl2 h ARG 108 Cb 1.36 -0.09 -0.42 0.00 0.08 0.00 0.00 29.97 30.90 3kl2 h ARG 108 CO 0.51 0.50 -0.63 0.72 -1.07 0.00 0.00 179.97 180.00 3kl2 n HIS 109 N -4.33 3.57 -1.23 3.04 8.25 -1.26 -5.09 115.22 118.16 3kl2 n HIS 109 Ca 0.02 -4.10 -0.34 0.00 -0.26 0.00 0.00 57.72 53.04 3kl2 n HIS 109 Cb 0.19 -0.53 0.11 0.00 1.12 0.00 0.00 29.99 30.88 3kl2 n HIS 109 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3kl2 n PRO 110 N 0.60 0.36 -4.54 -0.41 -0.04 -1.25 -5.05 135.00 124.67 3kl2 n PRO 110 Ca 0.30 0.19 -0.25 0.00 -0.04 0.00 0.00 63.50 63.70 3kl2 n PRO 110 Cb 0.41 -2.41 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 3kl2 n PRO 110 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3kl2 s TYR 111 N -1.97 2.02 0.00 0.54 1.13 -1.26 -4.63 117.35 113.18 3kl2 s TYR 111 Ca 0.75 -0.97 0.00 0.00 -1.41 0.00 0.00 57.07 55.43 3kl2 s TYR 111 Cb -0.31 -1.40 0.00 0.00 -1.10 0.00 0.00 41.96 39.15 3kl2 s TYR 111 CO 0.49 0.06 0.00 0.41 -2.51 0.00 0.00 175.55 174.00 3kl2 n GLY 112 N -0.88 -0.59 0.27 5.49 0.00 -1.26 -3.69 105.19 104.53 3kl2 n GLY 112 Ca -0.06 -1.12 0.10 0.00 0.00 0.00 0.00 46.02 44.93 3kl2 n GLY 112 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kl2 h ILE 113 N 0.00 0.88 0.00 -0.61 6.09 -2.02 -1.69 117.51 120.16 3kl2 h ILE 113 Ca 0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 3kl2 h ILE 113 Cb 0.00 0.99 -0.00 0.00 0.47 0.00 0.00 36.82 38.28 3kl2 h ILE 113 CO 0.00 0.00 -0.09 -0.07 -3.07 0.00 0.00 178.15 174.92 3kl2 h LEU 114 N 0.00 0.00 -1.25 2.19 3.38 -1.97 -2.17 115.31 115.48 3kl2 h LEU 114 Ca 0.01 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 3kl2 h LEU 114 Cb 0.03 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.70 3kl2 h LEU 114 CO -0.00 0.09 0.59 0.50 0.09 0.00 0.00 178.44 179.71 3kl2 h LYS 115 N 0.00 0.69 0.00 1.13 3.64 -1.38 -2.15 116.57 118.50 3kl2 h LYS 115 Ca -0.00 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.21 3kl2 h LYS 115 Cb 0.69 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 3kl2 h LYS 115 CO 0.01 0.46 -0.62 0.78 -2.27 0.00 0.00 179.45 177.81 3kl2 h GLY 116 N 0.71 0.00 0.60 5.01 0.00 -1.52 -0.51 103.07 107.36 3kl2 h GLY 116 Ca 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 3kl2 h GLY 116 CO -0.22 0.00 -0.12 -2.08 0.00 0.00 0.00 176.54 174.11 3kl2 h VAL 117 N 0.00 0.76 0.37 4.60 2.07 -1.49 -2.66 116.25 119.90 3kl2 h VAL 117 Ca -0.01 -0.72 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3kl2 h VAL 117 Cb 1.31 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.19 3kl2 h VAL 117 CO 0.08 0.14 -0.34 0.58 0.02 0.00 0.00 177.57 178.06 3kl2 h VAL 118 N -0.75 0.31 -0.65 2.57 2.07 -1.38 -0.48 116.25 117.94 3kl2 h VAL 118 Ca -0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3kl2 h VAL 118 Cb 0.50 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3kl2 h VAL 118 CO 0.06 0.00 0.42 0.44 0.02 0.00 0.00 177.57 178.50 3kl2 h ASP 119 N -0.72 0.76 0.92 0.57 3.32 -1.23 -1.74 116.42 118.29 3kl2 h ASP 119 Ca -0.03 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3kl2 h ASP 119 Cb 0.64 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3kl2 h ASP 119 CO -0.04 0.56 -0.12 0.61 -1.72 0.00 0.00 179.24 178.53 3kl2 n GLY 120 N -1.40 -1.46 3.34 2.75 0.00 -1.00 -4.94 105.19 102.49 3kl2 n GLY 120 Ca 0.07 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 3kl2 n GLY 120 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kl2 n LYS 121 N -1.57 -6.30 -3.99 1.61 5.02 -0.22 -5.00 118.16 107.71 3kl2 n LYS 121 Ca 0.06 0.82 -0.26 0.00 -2.02 0.00 0.00 58.31 56.91 3kl2 n LYS 121 Cb 0.35 -5.75 -0.04 0.00 -0.02 0.00 0.00 35.03 29.57 3kl2 n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kl2 s ALA 122 N -3.35 3.83 -1.68 7.82 0.00 -1.00 -4.58 121.76 122.80 3kl2 s ALA 122 Ca 0.01 -1.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.86 3kl2 s ALA 122 Cb -0.00 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.49 3kl2 s ALA 122 CO 0.70 0.54 0.29 1.19 0.00 0.00 0.00 175.76 178.49 3kl2 n PHE 123 N -0.43 -1.46 -2.14 0.00 3.01 -1.26 -4.79 117.46 110.40 3kl2 n PHE 123 Ca -0.07 0.25 -0.42 0.00 1.01 0.00 0.00 57.45 58.21 3kl2 n PHE 123 Cb 0.54 -4.23 -0.03 0.00 -0.01 0.00 0.00 39.48 35.75 3kl2 n PHE 123 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kl2 s VAL 124 N -3.11 3.48 0.19 -4.37 1.01 -1.26 -1.49 120.40 114.85 3kl2 s VAL 124 Ca 0.14 0.92 -0.33 0.00 0.00 0.00 0.00 61.98 62.71 3kl2 s VAL 124 Cb -0.06 -3.59 -0.14 0.00 0.00 0.00 0.00 36.38 32.58 3kl2 s VAL 124 CO 0.18 0.01 1.37 1.17 0.00 0.00 0.00 175.10 177.83 3kl2 n LYS 125 N 5.24 1.76 0.00 2.72 4.81 0.14 -2.08 118.16 130.75 3kl2 n LYS 125 Ca 0.14 0.63 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 3kl2 n LYS 125 Cb 0.43 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 33.21 3kl2 n LYS 125 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3kl2 n GLY 126 N 2.39 2.09 3.89 3.14 0.00 -1.26 -4.81 105.19 110.62 3kl2 n GLY 126 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3kl2 n GLY 126 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kl2 s THR 127 N -2.33 2.68 0.29 2.61 -4.23 -0.88 -4.95 115.64 108.83 3kl2 s THR 127 Ca 0.00 0.20 -0.00 0.00 -1.18 0.00 0.00 61.69 60.71 3kl2 s THR 127 Cb 0.00 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.79 3kl2 s THR 127 CO 0.00 -0.28 1.85 -0.25 -0.54 0.00 0.00 174.62 175.39 3kl2 h TRP 128 N -0.86 0.81 -0.98 3.99 7.01 -1.95 -2.54 115.95 121.42 3kl2 h TRP 128 Ca -0.45 -0.07 0.11 0.00 2.11 0.00 0.00 58.89 60.59 3kl2 h TRP 128 Cb 1.29 -0.24 -0.08 0.00 -2.10 0.00 0.00 29.16 28.03 3kl2 h TRP 128 CO 0.40 0.68 0.62 0.78 -2.79 0.00 0.00 178.44 178.12 3kl2 h GLY 129 N 0.94 1.58 2.00 2.65 0.00 -1.92 -2.18 103.07 106.14 3kl2 h GLY 129 Ca 0.17 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3kl2 h GLY 129 CO -0.00 0.19 -0.13 0.00 0.00 0.00 0.00 176.54 176.59 3kl2 h ALA 130 N 1.51 0.93 -2.60 3.60 0.00 -1.71 -0.80 119.26 120.20 3kl2 h ALA 130 Ca 0.48 -0.12 -0.50 0.00 0.00 0.00 0.00 54.91 54.77 3kl2 h ALA 130 Cb 0.42 -0.02 0.06 0.00 0.00 0.00 0.00 17.79 18.24 3kl2 h ALA 130 CO -0.25 0.16 0.45 0.00 0.00 0.00 0.00 179.25 179.62 3kl2 s ALA 131 N -3.28 2.90 0.29 0.00 0.00 -0.82 -4.79 121.76 116.06 3kl2 s ALA 131 Ca 0.05 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.55 3kl2 s ALA 131 Cb 0.07 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.74 3kl2 s ALA 131 CO 0.66 -0.59 1.33 0.42 0.00 0.00 0.00 175.76 177.59 3kl2 s ILE 132 N -1.67 2.80 0.48 0.00 1.01 -1.26 -1.08 121.20 121.48 3kl2 s ILE 132 Ca 0.66 0.75 -0.24 0.00 0.00 0.00 0.00 60.65 61.81 3kl2 s ILE 132 Cb -0.25 -3.48 -0.08 0.00 0.01 0.00 0.00 42.46 38.67 3kl2 s ILE 132 CO 0.30 0.15 1.36 0.55 0.00 0.00 0.00 174.94 177.31 3kl2 n VAL 133 N 1.45 3.06 -0.08 2.92 3.14 -0.49 -4.77 118.33 123.55 3kl2 n VAL 133 Ca 0.02 -0.50 -0.07 0.00 -2.96 0.00 0.00 64.34 60.84 3kl2 n VAL 133 Cb 0.42 -1.71 -0.00 0.00 -1.06 0.00 0.00 33.84 31.48 3kl2 n VAL 133 CO 0.00 0.00 0.00 0.44 -6.46 0.00 0.00 176.83 170.81 3kl2 h ASP 134 N 1.96 -0.65 0.04 6.55 3.32 -1.92 -1.99 116.42 123.72 3kl2 h ASP 134 Ca -0.50 0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.69 3kl2 h ASP 134 Cb 1.29 0.34 0.00 0.00 0.22 0.00 0.00 39.33 41.17 3kl2 h ASP 134 CO 0.59 -0.23 0.00 -0.33 -1.72 0.00 0.00 179.24 177.55 3kl2 h GLU 135 N -0.16 0.00 -0.13 3.56 3.07 -2.00 -1.10 114.58 117.82 3kl2 h GLU 135 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 3kl2 h GLU 135 Cb 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.32 3kl2 h GLU 135 CO -0.42 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.47 3kl2 n LEU 136 N -2.85 2.81 -4.53 1.33 4.77 -0.77 -5.01 117.00 112.75 3kl2 n LEU 136 Ca -0.02 -2.67 -0.47 0.00 -0.03 0.00 0.00 56.01 52.82 3kl2 n LEU 136 Cb 0.07 -0.34 -0.03 0.00 -2.33 0.00 0.00 43.42 40.79 3kl2 n LEU 136 CO 0.17 0.66 0.42 0.00 -1.33 0.00 0.00 177.39 177.31 3kl2 n ALA 137 N -0.66 -1.28 -1.90 -1.18 0.00 -0.42 -4.85 120.51 110.21 3kl2 n ALA 137 Ca 0.13 0.43 -0.42 0.00 0.00 0.00 0.00 53.44 53.59 3kl2 n ALA 137 Cb 0.60 -1.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 3kl2 n ALA 137 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kl2 s PRO 138 N -1.10 4.25 0.34 0.00 0.02 -1.26 -5.01 135.00 132.25 3kl2 s PRO 138 Ca 0.64 2.31 0.03 0.00 0.02 0.00 0.00 61.00 64.01 3kl2 s PRO 138 Cb -0.82 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 30.52 3kl2 s PRO 138 CO 0.57 -0.48 0.09 0.14 -0.33 0.00 0.00 177.00 176.99 3kl2 s VAL 139 N 0.36 0.91 -0.21 3.83 -7.23 -1.26 -5.01 120.40 111.78 3kl2 s VAL 139 Ca 0.63 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.64 3kl2 s VAL 139 Cb -0.42 -2.63 -0.07 0.00 0.56 0.00 0.00 36.38 33.82 3kl2 s VAL 139 CO 0.39 0.00 0.83 -0.46 -0.31 0.00 0.00 175.10 175.55 3kl2 n ASN 140 N -0.85 0.25 0.00 4.85 6.94 -1.26 -1.37 115.26 123.82 3kl2 n ASN 140 Ca -0.03 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.75 3kl2 n ASN 140 Cb 0.66 -0.34 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 3kl2 n ASN 140 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kl2 n GLY 141 N 2.73 2.88 3.71 4.83 0.00 -1.26 -5.06 105.19 113.03 3kl2 n GLY 141 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 3kl2 n GLY 141 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kl2 n ASP 142 N 0.00 3.01 -4.85 1.61 9.92 -0.47 -4.83 116.55 120.93 3kl2 n ASP 142 Ca 0.00 1.20 -0.37 0.00 -0.53 0.00 0.00 54.79 55.09 3kl2 n ASP 142 Cb 0.00 -1.51 -0.06 0.00 -0.64 0.00 0.00 41.12 38.91 3kl2 n ASP 142 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kl2 s ILE 143 N -0.92 5.31 -0.33 0.53 1.01 -0.71 -4.92 121.20 121.17 3kl2 s ILE 143 Ca 0.57 0.47 -0.06 0.00 0.00 0.00 0.00 60.65 61.63 3kl2 s ILE 143 Cb -0.56 -3.53 0.04 0.00 0.01 0.00 0.00 42.46 38.42 3kl2 s ILE 143 CO 0.60 0.58 0.09 -0.69 0.00 0.00 0.00 174.94 175.53 3kl2 s VAL 144 N -0.91 3.73 0.42 2.92 1.01 -1.26 -1.01 120.40 125.30 3kl2 s VAL 144 Ca 0.18 -1.11 -0.25 0.00 0.00 0.00 0.00 61.98 60.80 3kl2 s VAL 144 Cb -0.14 -3.10 -0.08 0.00 0.00 0.00 0.00 36.38 33.07 3kl2 s VAL 144 CO 0.07 -0.15 1.25 -0.63 0.00 0.00 0.00 175.10 175.65 3kl2 s ILE 145 N 1.40 2.79 0.12 2.22 -1.09 0.14 -4.95 121.20 121.83 3kl2 s ILE 145 Ca -0.02 0.67 0.11 0.00 -2.23 0.00 0.00 60.65 59.19 3kl2 s ILE 145 Cb -0.19 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.27 3kl2 s ILE 145 CO 0.02 0.07 -0.27 -1.61 -1.23 0.00 0.00 174.94 171.93 3kl2 s GLU 146 N -2.36 1.41 0.00 2.79 2.02 -1.26 -4.52 118.70 116.77 3kl2 s GLU 146 Ca 0.59 -1.33 0.00 0.00 0.02 0.00 0.00 54.97 54.25 3kl2 s GLU 146 Cb -0.35 -1.88 0.00 0.00 0.10 0.00 0.00 34.13 32.01 3kl2 s GLU 146 CO 0.44 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.58 3kl2 n GLY 147 N 0.97 2.46 3.67 -1.39 0.00 -1.26 -2.39 105.19 107.26 3kl2 n GLY 147 Ca -0.18 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.34 3kl2 n GLY 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kl2 n LYS 148 N -0.88 1.82 0.00 1.61 4.81 -1.25 -4.68 118.16 119.59 3kl2 n LYS 148 Ca 0.00 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 3kl2 n LYS 148 Cb 0.00 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 32.62 3kl2 n LYS 148 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3kl2 n ARG 149 N 5.18 2.57 0.00 1.64 5.12 -1.26 -3.44 116.66 126.46 3kl2 n ARG 149 Ca 0.22 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.14 3kl2 n ARG 149 Cb 0.24 -0.78 0.00 0.00 -1.16 0.00 0.00 32.46 30.77 3kl2 n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kl2 n GLY 150 N 1.50 4.04 0.14 -0.13 0.00 -1.26 -5.01 105.19 104.46 3kl2 n GLY 150 Ca 0.00 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.87 3kl2 n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kl2 n LEU 151 N 0.00 2.69 -4.69 0.99 7.99 -1.26 -4.85 117.00 117.88 3kl2 n LEU 151 Ca 0.00 -0.01 -0.42 0.00 -0.01 0.00 0.00 56.01 55.56 3kl2 n LEU 151 Cb 0.00 -0.86 -0.03 0.00 -0.11 0.00 0.00 43.42 42.42 3kl2 n LEU 151 CO 0.00 0.83 1.11 -0.62 -1.51 0.00 0.00 177.39 177.20 3kl2 s ASP 152 N -6.70 6.86 0.38 -1.43 -1.08 -1.26 -4.34 116.67 109.09 3kl2 s ASP 152 Ca -0.35 2.11 0.16 0.00 -0.52 0.00 0.00 52.55 53.96 3kl2 s ASP 152 Cb 0.10 -2.56 0.76 0.00 -1.46 0.00 0.00 42.92 39.76 3kl2 s ASP 152 CO 0.55 -0.71 1.80 0.74 0.52 0.00 0.00 175.17 178.07 3kl2 h THR 153 N 4.90 1.07 0.00 1.71 2.02 -1.88 -2.67 112.91 118.06 3kl2 h THR 153 Ca -0.38 -1.37 -0.02 0.00 0.77 0.00 0.00 66.41 65.41 3kl2 h THR 153 Cb 1.18 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 69.37 3kl2 h THR 153 CO 0.90 0.37 -0.11 -0.26 0.37 0.00 0.00 175.52 176.79 3kl2 h PHE 154 N 0.00 0.00 0.00 3.16 0.04 -1.90 -3.30 116.94 114.94 3kl2 h PHE 154 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kl2 h PHE 154 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 3kl2 h PHE 154 CO 0.00 0.11 -0.23 0.00 -0.60 0.00 0.00 178.31 177.59 3kl2 h ALA 155 N 1.89 0.88 0.00 2.45 0.00 -1.87 -3.39 119.26 119.22 3kl2 h ALA 155 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kl2 h ALA 155 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 3kl2 h ALA 155 CO 0.01 0.00 -0.27 -1.13 0.00 0.00 0.00 179.25 177.86 3kl2 n SER 156 N -2.97 0.51 -4.21 0.00 3.41 -1.26 -5.04 113.62 104.07 3kl2 n SER 156 Ca 0.03 -1.95 -0.24 0.00 -0.26 0.00 0.00 58.87 56.45 3kl2 n SER 156 Cb 0.53 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 64.21 3kl2 n SER 156 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3kl2 s THR 157 N -0.53 0.72 -0.93 6.66 -4.23 -1.24 -3.88 115.64 112.21 3kl2 s THR 157 Ca 0.05 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 58.64 3kl2 s THR 157 Cb 0.05 -2.49 0.38 0.00 1.34 0.00 0.00 72.50 71.78 3kl2 s THR 157 CO 0.00 0.00 1.14 -0.46 -0.54 0.00 0.00 174.62 174.76 3kl2 n ASN 158 N -1.08 3.00 0.01 3.99 0.23 -1.01 -4.62 115.26 115.80 3kl2 n ASN 158 Ca -0.04 -2.35 -0.12 0.00 -0.53 0.00 0.00 54.58 51.54 3kl2 n ASN 158 Cb 0.65 -0.52 -0.06 0.00 -2.08 0.00 0.00 39.78 37.77 3kl2 n ASN 158 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3kl2 h LEU 159 N 1.97 0.06 0.50 -4.53 5.85 -1.86 -2.19 115.31 115.10 3kl2 h LEU 159 Ca 0.00 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 3kl2 h LEU 159 Cb 1.06 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.08 3kl2 h LEU 159 CO 0.19 0.09 -0.24 -0.78 -0.34 0.00 0.00 178.44 177.36 3kl2 h ASP 160 N 0.02 -0.57 -0.79 1.25 3.58 -1.90 0.29 116.42 118.31 3kl2 h ASP 160 Ca 0.02 -0.00 0.17 0.00 0.42 0.00 0.00 57.03 57.64 3kl2 h ASP 160 Cb 0.05 0.15 -0.14 0.00 1.72 0.00 0.00 39.33 41.10 3kl2 h ASP 160 CO -0.00 -0.37 -0.10 0.15 -2.88 0.00 0.00 179.24 176.04 3kl2 h PHE 161 N -0.72 -0.24 -0.12 0.28 3.57 -1.88 0.16 116.94 117.98 3kl2 h PHE 161 Ca -0.07 0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.39 3kl2 h PHE 161 Cb 0.54 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3kl2 h PHE 161 CO -0.03 -0.31 -0.34 0.82 -2.23 0.00 0.00 178.31 176.22 3kl2 h ILE 162 N 0.04 1.37 -0.24 1.41 2.04 -1.05 0.23 117.51 121.31 3kl2 h ILE 162 Ca 0.41 -1.64 0.03 0.00 1.00 0.00 0.00 64.86 64.66 3kl2 h ILE 162 Cb 0.69 2.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.84 3kl2 h ILE 162 CO -0.76 0.49 0.06 -0.07 0.00 0.00 0.00 178.15 177.87 3kl2 h LEU 163 N 0.04 0.03 -0.50 1.44 3.38 -0.42 -0.77 115.31 118.52 3kl2 h LEU 163 Ca -0.01 0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.87 3kl2 h LEU 163 Cb 0.96 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3kl2 h LEU 163 CO 0.07 0.05 -0.18 0.03 0.09 0.00 0.00 178.44 178.51 3kl2 h ARG 164 N 0.16 1.01 -0.63 1.13 2.47 -0.64 -1.08 114.38 116.80 3kl2 h ARG 164 Ca 0.11 -0.41 -0.06 0.00 -1.26 0.00 0.00 59.98 58.36 3kl2 h ARG 164 Cb 0.10 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.35 3kl2 h ARG 164 CO -0.14 1.09 0.14 1.03 0.56 0.00 0.00 179.97 182.66 3kl2 h SER 165 N 0.87 0.93 0.77 7.04 0.87 -0.77 -2.25 113.55 121.02 3kl2 h SER 165 Ca 0.12 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 3kl2 h SER 165 Cb 0.75 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 3kl2 h SER 165 CO 0.06 0.91 0.00 0.29 -0.53 0.00 0.00 176.83 177.56 3kl2 n LYS 166 N -4.25 0.15 -2.09 2.24 5.02 -0.31 -4.92 118.16 114.00 3kl2 n LYS 166 Ca 0.05 0.03 -0.02 0.00 -2.02 0.00 0.00 58.31 56.35 3kl2 n LYS 166 Cb 0.25 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3kl2 n LYS 166 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kl2 n GLY 167 N 1.18 0.33 3.68 0.72 0.00 -0.80 -4.93 105.19 105.37 3kl2 n GLY 167 Ca 0.09 -0.78 -0.39 0.00 0.00 0.00 0.00 46.02 44.93 3kl2 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kl2 s VAL 168 N -2.18 5.09 -0.38 1.61 1.01 -0.47 -4.53 120.40 120.54 3kl2 s VAL 168 Ca 0.01 1.10 0.05 0.00 0.00 0.00 0.00 61.98 63.13 3kl2 s VAL 168 Cb -0.00 -3.90 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 3kl2 s VAL 168 CO 0.01 0.20 0.38 -0.90 0.00 0.00 0.00 175.10 174.79 3kl2 n ASP 169 N 4.50 0.71 -3.82 3.32 5.68 -0.57 -4.62 116.55 121.76 3kl2 n ASP 169 Ca -0.04 -0.86 -0.21 0.00 -0.50 0.00 0.00 54.79 53.18 3kl2 n ASP 169 Cb 0.51 0.58 -0.17 0.00 -1.14 0.00 0.00 41.12 40.90 3kl2 n ASP 169 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3kl2 s THR 170 N -1.00 0.43 -0.06 2.12 2.01 -1.02 -0.94 115.64 117.17 3kl2 s THR 170 Ca 0.03 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.11 3kl2 s THR 170 Cb 0.04 -0.53 -0.01 0.00 0.01 0.00 0.00 72.50 72.01 3kl2 s THR 170 CO 0.13 0.24 -0.23 0.27 -0.69 0.00 0.00 174.62 174.34 3kl2 s ILE 171 N 1.50 2.21 -0.34 1.82 -4.36 -0.64 -1.95 121.20 119.45 3kl2 s ILE 171 Ca -0.02 -1.01 -0.10 0.00 -0.26 0.00 0.00 60.65 59.26 3kl2 s ILE 171 Cb -0.13 -1.82 0.01 0.00 1.25 0.00 0.00 42.46 41.77 3kl2 s ILE 171 CO -0.03 0.57 0.17 -0.69 0.24 0.00 0.00 174.94 175.20 3kl2 s VAL 172 N -0.15 4.59 -0.05 8.37 1.01 0.32 -0.47 120.40 134.02 3kl2 s VAL 172 Ca -0.04 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 3kl2 s VAL 172 Cb -0.14 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3kl2 s VAL 172 CO 0.04 -0.06 0.22 -0.76 0.00 0.00 0.00 175.10 174.54 3kl2 s LEU 173 N 1.59 4.39 0.19 3.92 1.43 0.16 -0.75 118.68 129.60 3kl2 s LEU 173 Ca 0.04 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 3kl2 s LEU 173 Cb -0.18 -2.38 0.02 0.00 0.03 0.00 0.00 46.19 43.68 3kl2 s LEU 173 CO 0.06 0.34 0.48 -0.83 0.23 0.00 0.00 176.35 176.63 3kl2 s GLY 174 N -1.34 -0.00 0.00 -3.19 0.00 -1.02 -1.29 107.32 100.48 3kl2 s GLY 174 Ca 0.21 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.60 3kl2 s GLY 174 CO 0.11 -0.36 0.00 0.61 0.00 0.00 0.00 173.10 173.45 3kl2 n GLY 175 N -0.31 0.64 3.44 0.20 0.00 0.29 -1.08 105.19 108.36 3kl2 n GLY 175 Ca -0.10 -1.87 -0.30 0.00 0.00 0.00 0.00 46.02 43.75 3kl2 n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl2 s PHE 176 N -2.20 2.45 0.26 1.61 0.08 0.31 -1.93 117.98 118.56 3kl2 s PHE 176 Ca 0.00 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.74 3kl2 s PHE 176 Cb 0.00 -1.35 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 3kl2 s PHE 176 CO 0.00 0.31 0.44 -0.51 -0.10 0.00 0.00 175.22 175.36 3kl2 s LEU 177 N -1.87 4.17 0.15 -0.37 1.43 -1.26 -4.04 118.68 116.89 3kl2 s LEU 177 Ca 0.15 0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.46 3kl2 s LEU 177 Cb -0.10 -3.17 0.04 0.00 0.03 0.00 0.00 46.19 42.98 3kl2 s LEU 177 CO 0.07 -0.13 1.75 0.74 0.23 0.00 0.00 176.35 179.01 3kl2 h THR 178 N 1.24 0.89 -0.61 5.49 2.02 -1.36 0.69 112.91 121.27 3kl2 h THR 178 Ca -0.49 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.61 3kl2 h THR 178 Cb 1.21 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3kl2 h THR 178 CO 0.65 0.04 0.00 -0.46 0.37 0.00 0.00 175.52 176.12 3kl2 n ASN 179 N -5.04 4.25 0.00 4.18 6.94 -1.26 -2.08 115.26 122.25 3kl2 n ASN 179 Ca 0.01 -2.30 0.00 0.00 -0.02 0.00 0.00 54.58 52.27 3kl2 n ASN 179 Cb 0.12 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 37.04 3kl2 n ASN 179 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kl2 h VAL 182 N 0.31 1.48 -0.47 0.00 2.07 -1.01 -2.65 116.25 115.98 3kl2 h VAL 182 Ca 0.64 -1.58 0.07 0.00 0.82 0.00 0.00 66.70 66.66 3kl2 h VAL 182 Cb 1.37 2.46 -0.06 0.00 -1.52 0.00 0.00 31.29 33.53 3kl2 h VAL 182 CO -0.61 0.43 0.11 -0.08 0.02 0.00 0.00 177.57 177.44 3kl2 h GLU 183 N -0.46 0.24 -0.68 1.57 4.81 -1.23 -1.38 114.58 117.45 3kl2 h GLU 183 Ca -0.01 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3kl2 h GLU 183 Cb 0.75 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 3kl2 h GLU 183 CO 0.02 0.16 0.28 0.77 -0.73 0.00 0.00 179.01 179.51 3kl2 h SER 184 N 0.25 0.93 -0.82 1.04 0.02 -1.02 -0.06 113.55 113.89 3kl2 h SER 184 Ca 0.23 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.98 3kl2 h SER 184 Cb 0.29 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3kl2 h SER 184 CO -0.29 0.84 0.36 0.74 -1.14 0.00 0.00 176.83 177.34 3kl2 h THR 185 N 0.95 1.26 -0.28 -2.27 2.02 -1.34 -2.16 112.91 111.09 3kl2 h THR 185 Ca 0.23 -0.78 -0.01 0.00 0.77 0.00 0.00 66.41 66.62 3kl2 h THR 185 Cb 0.20 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 3kl2 h THR 185 CO -0.02 0.33 0.14 -0.03 0.37 0.00 0.00 175.52 176.31 3kl2 h MET 186 N 1.19 0.39 -0.90 6.66 -1.53 -0.79 0.22 114.93 120.18 3kl2 h MET 186 Ca 0.28 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.47 3kl2 h MET 186 Cb 0.17 -0.07 -0.04 0.00 -0.55 0.00 0.00 31.60 31.11 3kl2 h MET 186 CO -0.03 0.36 0.50 0.00 0.14 0.00 0.00 176.91 177.88 3kl2 h ARG 187 N 0.33 1.25 0.25 0.39 3.08 -0.71 0.48 114.38 119.44 3kl2 h ARG 187 Ca 0.10 -0.14 -0.33 0.00 0.07 0.00 0.00 59.98 59.68 3kl2 h ARG 187 Cb 0.09 -0.25 0.04 0.00 0.08 0.00 0.00 29.97 29.93 3kl2 h ARG 187 CO -0.01 0.90 -1.45 1.15 -1.07 0.00 0.00 179.97 179.49 3kl2 h THR 188 N 1.25 1.29 -0.75 2.04 2.02 -1.27 -2.13 112.91 115.36 3kl2 h THR 188 Ca 0.32 -2.69 0.17 0.00 0.77 0.00 0.00 66.41 64.98 3kl2 h THR 188 Cb 0.01 3.05 -0.12 0.00 -1.74 0.00 0.00 68.15 69.36 3kl2 h THR 188 CO -0.05 0.81 0.13 1.23 0.37 0.00 0.00 175.52 178.00 3kl2 h GLY 189 N 0.13 1.00 0.91 2.16 0.00 -0.23 0.16 103.07 107.20 3kl2 h GLY 189 Ca -0.25 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3kl2 h GLY 189 CO 0.27 -0.25 0.10 -1.82 0.00 0.00 0.00 176.54 174.84 3kl2 h TYR 190 N 0.20 0.37 -0.51 5.60 3.20 -0.77 -2.10 116.97 122.95 3kl2 h TYR 190 Ca 0.43 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.28 3kl2 h TYR 190 Cb 0.76 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.90 3kl2 h TYR 190 CO -0.31 0.38 0.33 0.93 -1.64 0.00 0.00 178.16 177.84 3kl2 h GLU 191 N 0.25 0.68 -0.19 1.82 4.39 -0.62 -1.19 114.58 119.72 3kl2 h GLU 191 Ca 0.08 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.74 3kl2 h GLU 191 Cb 0.16 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3kl2 h GLU 191 CO -0.01 0.46 0.00 0.54 -1.16 0.00 0.00 179.01 178.84 3kl2 n ARG 192 N -4.45 1.47 -0.97 2.33 1.74 -0.05 -4.91 116.66 111.82 3kl2 n ARG 192 Ca 0.05 -0.72 0.00 0.00 -0.77 0.00 0.00 57.85 56.41 3kl2 n ARG 192 Cb 0.06 -1.18 0.00 0.00 -1.02 0.00 0.00 32.46 30.32 3kl2 n ARG 192 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kl2 n GLY 193 N 0.85 0.51 3.77 -0.13 0.00 -0.45 -5.02 105.19 104.72 3kl2 n GLY 193 Ca 0.08 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 3kl2 n GLY 193 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kl2 s PHE 194 N -2.00 2.79 -0.45 1.61 0.08 -0.82 -5.00 117.98 114.20 3kl2 s PHE 194 Ca 0.00 1.51 -0.29 0.00 0.12 0.00 0.00 56.93 58.27 3kl2 s PHE 194 Cb 0.00 -3.44 0.03 0.00 -0.57 0.00 0.00 43.02 39.04 3kl2 s PHE 194 CO 0.00 -1.70 1.14 0.50 -0.10 0.00 0.00 175.22 175.06 3kl2 s ARG 195 N -2.73 3.79 -0.20 0.44 3.52 -0.11 -4.49 118.95 119.16 3kl2 s ARG 195 Ca 0.65 0.68 -0.09 0.00 -0.13 0.00 0.00 55.73 56.83 3kl2 s ARG 195 Cb -0.30 -3.88 -0.05 0.00 -1.56 0.00 0.00 34.95 29.16 3kl2 s ARG 195 CO 0.36 -1.30 0.12 0.08 -0.81 0.00 0.00 175.30 173.75 3kl2 s VAL 196 N 4.33 5.20 -0.20 7.11 1.01 -1.26 -1.62 120.40 134.97 3kl2 s VAL 196 Ca 0.48 0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.55 3kl2 s VAL 196 Cb -0.08 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 32.91 3kl2 s VAL 196 CO 0.29 0.42 -0.07 -0.63 0.00 0.00 0.00 175.10 175.12 3kl2 s ILE 197 N 0.53 3.27 -0.16 2.22 1.01 0.38 0.03 121.20 128.48 3kl2 s ILE 197 Ca 0.06 -0.54 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 3kl2 s ILE 197 Cb -0.12 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 3kl2 s ILE 197 CO 0.00 0.45 0.04 0.42 0.00 0.00 0.00 174.94 175.85 3kl2 s THR 198 N 1.24 4.62 -0.83 2.92 -4.23 -1.05 0.37 115.64 118.69 3kl2 s THR 198 Ca 0.03 -0.10 -0.20 0.00 -1.18 0.00 0.00 61.69 60.24 3kl2 s THR 198 Cb -0.14 -3.06 0.11 0.00 1.34 0.00 0.00 72.50 70.75 3kl2 s THR 198 CO -0.02 0.49 1.06 -0.76 -0.54 0.00 0.00 174.62 174.85 3kl2 s LEU 199 N 0.18 4.82 0.62 4.79 1.43 -0.41 -1.27 118.68 128.83 3kl2 s LEU 199 Ca 0.03 -1.66 0.40 0.00 -1.03 0.00 0.00 54.13 51.88 3kl2 s LEU 199 Cb -0.13 -2.40 2.20 0.00 0.03 0.00 0.00 46.19 45.89 3kl2 s LEU 199 CO 0.01 -1.20 2.24 0.71 0.23 0.00 0.00 176.35 178.34 3kl2 h THR 200 N 5.91 0.00 -0.24 5.49 1.35 -1.25 0.28 112.91 124.45 3kl2 h THR 200 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3kl2 h THR 200 Cb 1.04 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3kl2 h THR 200 CO 1.14 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.51 3kl2 n ASP 201 N -2.94 3.23 -0.78 5.36 5.75 -1.26 -4.51 116.55 121.40 3kl2 n ASP 201 Ca -0.03 -2.57 0.03 0.00 -0.01 0.00 0.00 54.79 52.21 3kl2 n ASP 201 Cb 0.09 -0.37 0.20 0.00 -1.03 0.00 0.00 41.12 40.01 3kl2 n ASP 201 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kl2 s VAL 203 N -3.07 1.41 0.08 0.00 -7.23 -1.24 -0.55 120.40 109.79 3kl2 s VAL 203 Ca 0.40 -2.12 -0.14 0.00 -1.81 0.00 0.00 61.98 58.31 3kl2 s VAL 203 Cb 0.36 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 35.29 3kl2 s VAL 203 CO 0.01 -0.60 0.33 0.00 -0.31 0.00 0.00 175.10 174.53 3kl2 s ALA 204 N -3.18 -0.73 0.29 1.32 0.00 -0.81 -4.87 121.76 113.78 3kl2 s ALA 204 Ca 0.21 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.13 3kl2 s ALA 204 Cb 0.02 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.61 3kl2 s ALA 204 CO 0.05 -0.52 0.19 0.00 0.00 0.00 0.00 175.76 175.48 3kl2 n ALA 205 N 0.15 0.55 1.92 0.00 0.00 -1.26 -1.17 120.51 120.70 3kl2 n ALA 205 Ca -0.17 -1.63 0.16 0.00 0.00 0.00 0.00 53.44 51.80 3kl2 n ALA 205 Cb 0.62 1.24 0.88 0.00 0.00 0.00 0.00 19.45 22.19 3kl2 n ALA 205 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kl2 n THR 206 N -0.59 0.00 -3.53 0.00 -2.24 -1.26 -4.41 114.28 102.25 3kl2 n THR 206 Ca 0.03 -0.04 -0.16 0.00 -2.27 0.00 0.00 64.05 61.61 3kl2 n THR 206 Cb 0.50 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 3kl2 n THR 206 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kl2 s SER 207 N -2.00 -0.59 0.33 3.42 1.04 -1.26 -4.78 113.70 109.85 3kl2 s SER 207 Ca 0.46 0.63 0.07 0.00 0.48 0.00 0.00 55.95 57.59 3kl2 s SER 207 Cb 0.22 0.49 0.59 0.00 0.10 0.00 0.00 66.02 67.42 3kl2 s SER 207 CO 0.37 -0.56 1.80 -0.61 0.98 0.00 0.00 173.24 175.21 3kl2 h GLN 208 N 2.87 0.29 0.29 4.02 5.75 -1.98 -2.13 115.11 124.22 3kl2 h GLN 208 Ca -0.25 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.14 3kl2 h GLN 208 Cb 1.15 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.68 3kl2 h GLN 208 CO 0.37 0.52 -0.14 1.05 -2.65 0.00 0.00 178.83 177.99 3kl2 h GLU 209 N 0.26 -0.37 -0.48 1.69 9.09 -1.99 0.25 114.58 123.03 3kl2 h GLU 209 Ca 0.04 0.03 0.07 0.00 0.05 0.00 0.00 59.36 59.55 3kl2 h GLU 209 Cb 0.58 0.08 -0.06 0.00 -1.65 0.00 0.00 28.75 27.71 3kl2 h GLU 209 CO 0.04 -0.03 0.14 0.93 0.05 0.00 0.00 179.01 180.14 3kl2 h GLU 210 N -0.82 0.29 -0.01 1.06 5.08 -1.99 -1.44 114.58 116.75 3kl2 h GLU 210 Ca -0.04 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3kl2 h GLU 210 Cb 0.51 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 3kl2 h GLU 210 CO 0.06 0.19 -0.07 1.25 -1.00 0.00 0.00 179.01 179.44 3kl2 h HIS 211 N 0.30 -0.19 -0.42 4.33 2.76 -1.31 -2.87 115.15 117.75 3kl2 h HIS 211 Ca 0.24 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.37 3kl2 h HIS 211 Cb 0.28 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.30 3kl2 h HIS 211 CO -0.18 -0.12 0.09 -0.91 -1.30 0.00 0.00 177.93 175.51 3kl2 h ASN 212 N -0.12 0.65 -0.31 3.26 4.21 0.13 -2.89 115.58 120.52 3kl2 h ASN 212 Ca 0.03 -0.24 -0.07 0.00 1.21 0.00 0.00 56.30 57.23 3kl2 h ASN 212 Cb 0.17 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 3kl2 h ASN 212 CO -0.09 0.73 -0.05 0.78 -1.29 0.00 0.00 177.43 177.51 3kl2 h ASN 213 N 0.55 0.66 0.07 5.81 2.35 -1.30 -1.68 115.58 122.04 3kl2 h ASN 213 Ca 0.13 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3kl2 h ASN 213 Cb 0.34 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3kl2 h ASN 213 CO 0.00 0.76 -0.12 0.00 -1.65 0.00 0.00 177.43 176.43 3kl2 h ALA 214 N 1.31 -0.19 -0.63 -0.83 0.00 -1.40 -0.61 119.26 116.91 3kl2 h ALA 214 Ca 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3kl2 h ALA 214 Cb 0.47 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3kl2 h ALA 214 CO 0.02 -0.63 0.04 0.82 0.00 0.00 0.00 179.25 179.50 3kl2 h ILE 215 N -0.24 1.27 0.25 0.00 2.04 -1.33 0.60 117.51 120.09 3kl2 h ILE 215 Ca 0.02 -1.12 -0.33 0.00 1.00 0.00 0.00 64.86 64.43 3kl2 h ILE 215 Cb 0.25 0.73 0.04 0.00 -0.74 0.00 0.00 36.82 37.10 3kl2 h ILE 215 CO -0.06 0.41 -1.46 0.28 0.00 0.00 0.00 178.15 177.31 3kl2 h SER 216 N 1.00 0.82 0.00 1.72 0.02 -1.31 -3.38 113.55 112.41 3kl2 h SER 216 Ca 0.18 -0.92 -0.05 0.00 -0.84 0.00 0.00 61.79 60.16 3kl2 h SER 216 Cb 0.52 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3kl2 h SER 216 CO 0.02 1.70 -1.19 -1.22 -1.14 0.00 0.00 176.83 175.00 3kl2 n TYR 217 N -3.74 0.00 -0.08 3.45 4.01 -0.25 -4.73 117.16 115.83 3kl2 n TYR 217 Ca -0.17 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.35 3kl2 n TYR 217 Cb 1.09 -0.14 -0.12 0.00 -0.31 0.00 0.00 39.34 39.86 3kl2 n TYR 217 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kl2 h ASP 218 N 0.00 0.11 -0.73 7.72 3.32 -1.13 -3.41 116.42 122.30 3kl2 h ASP 218 Ca -0.08 -0.63 0.12 0.00 0.02 0.00 0.00 57.03 56.47 3kl2 h ASP 218 Cb 1.16 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.59 3kl2 h ASP 218 CO 0.00 1.56 0.31 -0.26 -1.72 0.00 0.00 179.24 179.13 3kl2 h PHE 219 N -0.75 0.54 0.00 4.55 0.05 -0.03 -2.04 116.94 119.25 3kl2 h PHE 219 Ca -0.35 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.47 3kl2 h PHE 219 Cb 1.47 -0.13 0.00 0.00 2.00 0.00 0.00 35.95 39.29 3kl2 h PHE 219 CO 0.10 0.12 0.00 -1.35 -0.18 0.00 0.00 178.31 177.00 3kl2 h PRO 220 N 0.49 0.00 0.00 1.51 0.11 -1.79 -1.19 132.00 131.13 3kl2 h PRO 220 Ca 0.38 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.41 3kl2 h PRO 220 Cb 0.52 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3kl2 h PRO 220 CO -0.35 0.00 -0.39 0.52 -0.21 0.00 0.00 178.00 177.57 3kl2 h MET 221 N 0.00 0.00 0.00 1.05 2.86 -1.59 -3.38 114.93 113.87 3kl2 h MET 221 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kl2 h MET 221 Cb 0.34 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.00 3kl2 h MET 221 CO 0.00 0.39 0.00 1.19 1.06 0.00 0.00 176.91 179.55 3kl2 n PHE 222 N -3.87 0.00 -3.87 -0.22 3.72 -0.94 -5.09 117.46 107.19 3kl2 n PHE 222 Ca -0.01 -0.15 -0.07 0.00 -0.05 0.00 0.00 57.45 57.16 3kl2 n PHE 222 Cb 0.45 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.95 3kl2 n PHE 222 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3kl2 s SER 223 N -0.31 -0.22 -0.47 4.37 1.04 -0.49 -4.53 113.70 113.08 3kl2 s SER 223 Ca 0.00 -0.68 -0.16 0.00 0.48 0.00 0.00 55.95 55.59 3kl2 s SER 223 Cb 0.00 0.72 0.07 0.00 0.10 0.00 0.00 66.02 66.91 3kl2 s SER 223 CO 0.00 -1.34 0.41 -0.69 0.98 0.00 0.00 173.24 172.60 3kl2 s VAL 224 N -3.85 5.21 0.23 5.02 1.01 0.10 -4.50 120.40 123.62 3kl2 s VAL 224 Ca 0.13 -1.01 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 3kl2 s VAL 224 Cb -0.05 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 3kl2 s VAL 224 CO 0.08 -0.59 1.22 -2.84 0.00 0.00 0.00 175.10 172.97 3kl2 s PRO 225 N 1.73 4.47 0.06 2.72 0.02 -1.26 -2.52 135.00 140.22 3kl2 s PRO 225 Ca 0.05 1.96 -0.06 0.00 0.02 0.00 0.00 61.00 62.97 3kl2 s PRO 225 Cb -0.24 -3.19 -0.01 0.00 0.02 0.00 0.00 34.50 31.08 3kl2 s PRO 225 CO 0.07 -0.09 0.12 -1.64 -0.33 0.00 0.00 177.00 175.13 3kl2 s MET 226 N -0.66 0.72 0.53 5.54 -1.94 -0.39 -4.92 119.30 118.18 3kl2 s MET 226 Ca 0.52 -0.95 -0.06 0.00 -1.71 0.00 0.00 55.69 53.48 3kl2 s MET 226 Cb -0.35 0.28 -0.03 0.00 2.01 0.00 0.00 34.83 36.75 3kl2 s MET 226 CO 0.40 -0.20 0.86 0.95 -0.01 0.00 0.00 175.02 177.02 3kl2 s THR 227 N -3.50 4.58 0.27 2.05 -4.23 -1.26 -0.72 115.64 112.83 3kl2 s THR 227 Ca 0.02 0.27 -0.01 0.00 -1.18 0.00 0.00 61.69 60.80 3kl2 s THR 227 Cb 0.04 -3.77 0.25 0.00 1.34 0.00 0.00 72.50 70.36 3kl2 s THR 227 CO -0.09 -0.81 1.81 0.77 -0.54 0.00 0.00 174.62 175.76 3kl2 h SER 228 N 0.03 0.77 -0.67 3.99 4.64 -1.92 -1.38 113.55 119.01 3kl2 h SER 228 Ca -0.46 0.06 0.01 0.00 -0.47 0.00 0.00 61.79 60.92 3kl2 h SER 228 Cb 1.21 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 3kl2 h SER 228 CO 0.62 0.40 0.44 0.00 -0.87 0.00 0.00 176.83 177.42 3kl2 h ALA 229 N 1.52 0.85 -0.56 5.18 0.00 -1.96 -0.01 119.26 124.29 3kl2 h ALA 229 Ca 0.46 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.27 3kl2 h ALA 229 Cb 0.50 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3kl2 h ALA 229 CO -0.28 0.28 0.13 -0.44 0.00 0.00 0.00 179.25 178.94 3kl2 h ASP 230 N 0.91 0.85 -0.36 0.00 3.32 -1.78 -2.31 116.42 117.05 3kl2 h ASP 230 Ca 0.25 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 3kl2 h ASP 230 Cb -0.10 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.21 3kl2 h ASP 230 CO -0.05 0.87 -0.09 0.58 -1.72 0.00 0.00 179.24 178.83 3kl2 h VAL 231 N 0.79 1.28 -0.70 -1.35 2.07 -0.86 -2.61 116.25 114.88 3kl2 h VAL 231 Ca 0.17 -1.16 0.09 0.00 0.82 0.00 0.00 66.70 66.63 3kl2 h VAL 231 Cb 0.36 1.30 -0.07 0.00 -1.52 0.00 0.00 31.29 31.35 3kl2 h VAL 231 CO 0.00 0.38 0.35 0.40 0.02 0.00 0.00 177.57 178.72 3kl2 h ILE 232 N 0.48 0.84 -0.73 4.57 2.04 -0.94 -1.65 117.51 122.12 3kl2 h ILE 232 Ca 0.09 -0.20 -0.06 0.00 1.00 0.00 0.00 64.86 65.69 3kl2 h ILE 232 Cb 0.60 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 3kl2 h ILE 232 CO 0.04 0.11 0.23 0.00 0.00 0.00 0.00 178.15 178.53 3kl2 h ALA 233 N 1.43 1.03 0.00 1.87 0.00 -1.06 -0.32 119.26 122.21 3kl2 h ALA 233 Ca 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3kl2 h ALA 233 Cb 0.37 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3kl2 h ALA 233 CO -0.27 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3kl2 h ALA 234 N 1.17 1.00 0.06 0.00 0.00 -1.12 -2.88 119.26 117.49 3kl2 h ALA 234 Ca 0.24 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.86 3kl2 h ALA 234 Cb 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3kl2 h ALA 234 CO -0.01 0.00 -1.51 -0.07 0.00 0.00 0.00 179.25 177.66 3kl2 h LEU 235 N 0.00 0.21 0.00 0.00 3.38 -0.51 -3.37 115.31 115.02 3kl2 h LEU 235 Ca 0.00 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.65 3kl2 h LEU 235 Cb 0.63 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3kl2 h LEU 235 CO 0.00 1.27 0.00 -0.62 0.09 0.00 0.00 178.44 179.18